1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol

C16H25NO2 — CID 82216582

IUPAC1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol
SMILESCC1(C)CC2CC(C)(CN2CC(O)c2ccco2)C1
InChIInChI=1S/C16H25NO2/c1-15(2)7-12-8-16(3,10-15)11-17(12)9-13(18)14-5-4-6-19-14/h4-6,12-13,18H,7-11H2,1-3H3
InChIKeyVOLWKLKGEZTNLD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds3

About 1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol

1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol (PubChem CID 82216582) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol
PubChem CID82216582
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol
SMILESCC1(C)CC2CC(C)(CN2CC(O)c2ccco2)C1
InChIInChI=1S/C16H25NO2/c1-15(2)7-12-8-16(3,10-15)11-17(12)9-13(18)14-5-4-6-19-14/h4-6,12-13,18H,7-11H2,1-3H3
InChIKeyVOLWKLKGEZTNLD-UHFFFAOYSA-N
XLogP3.21
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol
CID 124723853
N-(furan-2-yl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108868530
(1S,2S,3R)-1-[4-(hydroxymethyl)phenyl]-2-methyl-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butane-1,3-diol
CID 6708353
furan-2-yl-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 962580
(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 124719155
(2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 2360061
1,3,3-trimethyl-6-[[(2R)-oxiran-2-yl]methyl]-6-azabicyclo[3.2.1]octane
CID 130848658
2-[(2,2-dimethylcyclopropyl)amino]-1-(furan-2-yl)ethanol
CID 61223910
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propanoic acid
CID 50932554
N-(4-aminophenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 82224567
(1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane
CID 59895923

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol?
The IUPAC name of 1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol (CID 82216582) is 1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol is CC1(C)CC2CC(C)(CN2CC(O)c2ccco2)C1.
What is the InChIKey of 1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol?
The InChIKey is VOLWKLKGEZTNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2)7-12-8-16(3,10-15)11-17(12)9-13(18)14-5-4-6-19-14/h4-6,12-13,18H,7-11H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol?
1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol has a molecular weight of 263.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol is sourced from PubChem (CID 82216582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).